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Details
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
D
137.0
136.73
137.0
2
D
124.9
125.27
124.9
3
D
148.3
151.19
148.3
4
D
152.5
150.05
152.5
5
S
129.6
130.23
129.6
6
S
170.6
169.71
170.6
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
136.73
137.0
137.0
2
D
125.27
124.9
124.9
3
D
151.19
148.3
148.3
4
D
150.05
152.5
152.5
5
S
130.23
129.6
129.6
6
S
169.71
170.6
170.6
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
137.0
137.0
136.73
2
D
124.9
124.9
125.27
3
D
148.3
148.3
151.19
4
D
152.5
152.5
150.05
5
S
129.6
129.6
130.23
6
S
170.6
170.6
169.71
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
8.249
2-H
7.527
3-H
8.735
4-H
9.081
8-H
8.220, 7.670
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